(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one

C13H14O2 — CID 102246786

IUPAC(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
SMILESCC(C)[C@@H]1O[C@]12Cc1ccccc1C2=O
InChIInChI=1S/C13H14O2/c1-8(2)12-13(15-12)7-9-5-3-4-6-10(9)11(13)14/h3-6,8,12H,7H2,1-2H3/t12-,13-/m0/s1
InChIKeyGEWRLECSGJWEJE-STQMWFEESA-N
MW202.25 g/mol
LogP2.22
Rot. Bonds1

About (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one

(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one (PubChem CID 102246786) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one.

Molecular Properties

Compound Name(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
PubChem CID102246786
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
SMILESCC(C)[C@@H]1O[C@]12Cc1ccccc1C2=O
InChIInChI=1S/C13H14O2/c1-8(2)12-13(15-12)7-9-5-3-4-6-10(9)11(13)14/h3-6,8,12H,7H2,1-2H3/t12-,13-/m0/s1
InChIKeyGEWRLECSGJWEJE-STQMWFEESA-N
XLogP2.22
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3'S)-3'-propan-2-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 15356461
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
(2R,3'S)-3'-[(2R,3S)-3-(2-methoxyphenyl)oxiran-2-yl]spiro[3H-indene-2,2'-oxirane]-1-one
CID 102281335
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
(2S,3'R)-3'-propylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 134964852
2-[1-(dimethylamino)ethyl-methylamino]-2-methyl-3H-inden-1-one
CID 20679411
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
2-(difluoromethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
CID 162416140
2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
CID 156783192
(2S,3'R)-3'-cyclohexylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 11139739
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
methyl 3-oxo-2-propan-2-yl-1H-indene-2-carboxylate
CID 13461881

Frequently Asked Questions

What is the IUPAC name of (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one?
The IUPAC name of (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one (CID 102246786) is (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one.
What is the SMILES notation for (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one?
The canonical SMILES for (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one is CC(C)[C@@H]1O[C@]12Cc1ccccc1C2=O.
What is the InChIKey of (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one?
The InChIKey is GEWRLECSGJWEJE-STQMWFEESA-N. The full InChI is InChI=1S/C13H14O2/c1-8(2)12-13(15-12)7-9-5-3-4-6-10(9)11(13)14/h3-6,8,12H,7H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one?
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one is sourced from PubChem (CID 102246786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).